2-chloranyl-4-nitro-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]benzamide

Systemtic Name: 2-chloranyl-4-nitro-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]benzamide Openeye Name: 2-chloro-4-nitro-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]benzamide CAS Name: 2-chloro-4-nitro-N-[4-[4-(3,5,5-trimethyl-1-oxohexyl)-1-piperazinyl]phenyl]benzamide IUPAC Name: 2-chloro-4-nitro-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]benzamide Traditional Name: 2-chloro-4-nitro-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazino]phenyl]benzamide Formula: C26H33ClN4O4 MolecularWeight: 501.01762

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)CC(C)(C)C

Isomeric SMILES

CC(CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)CC(C)(C)C

InChI

InChI=1S/C26H33ClN4O4/c1-18(17-26(2,3)4)15-24(32)30-13-11-29(12-14-30)20-7-5-19(6-8-20)28-25(33)22-10-9-21(31(34)35)16-23(22)27/h5-10,16,18H,11-15,17H2,1-4H3,(H,28,33)